Ethyl cyclohexylacetate

Base Information

• Chemical Name: Ethyl cyclohexylacetate
• CAS No.: 5452-75-5
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916209090
• European Community (EC) Number: 226-695-2
• NSC Number: 18985
• UNII: V36O028G9R
• DSSTox Substance ID: DTXSID4063901
• Nikkaji Number: J48.533K
• Wikidata: Q27291477
• Mol file: 5452-75-5.mol

Synonyms:Ethyl cyclohexylacetate;5452-75-5;ethyl 2-cyclohexylacetate;Ethyl cyclohexaneacetate;CYCLOHEXANEACETIC ACID, ETHYL ESTER;ethyl-2-cyclohexylacetate;EINECS 226-695-2;NSC 18985;BRN 2043392;UNII-V36O028G9R;AI3-14042;Cyclohexylacetic acid ethyl ester;Cyclohexaneacetic Acid Ethyl Ester;V36O028G9R;NSC-18985;Cyclohexyl acetic acid ethyl ester;ethyl cyclohexyl acetate;cyclohexane=ethyl acetate;WLN: L6TJ A1VO2;SCHEMBL18797;DTXSID4063901;ZBDAMDWKXGTKBT-UHFFFAOYSA-;cyclohexyl-acetic acid ethyl ester;Ethyl cyclohexaneacetate, >=98%;2-cyclohexylacetic acid ethyl ester;NSC18985;MFCD00001517;AKOS008949070;ETHYL .ALPHA.-CYCLOHEXYLACETATE;BS-23572;LS-56380;FT-0709500;D89353;A870428;Q27291477;(5S,12R)-5,12,20-TRIHYDROXY-(6Z,8E,10E,14Z)-EICOSATETRAENOICACID

Chemical Property of Ethyl cyclohexylacetate

Chemical Property:

• Vapor Pressure: 0.187mmHg at 25°C
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 211-212 °C766 mm Hg(lit.)
• Flash Point: 176 °F
• PSA: 26.30000
• Density: 0.948 g/mL at 25 °C(lit.)
• LogP: 2.51990
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

Ethyl Cyclohexylacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCOC(=O)CC1CCCCC1

Technology Process of Ethyl cyclohexylacetate

There total 54 articles about Ethyl cyclohexylacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

diazoacetic acid ethyl ester (623-73-4) + cyclohexane (110-82-7,25012-93-5) → ethyl 2-cyclohexylacetate (5452-75-5)

Guidance literature:

With C₂₈H₆Ag₂Au₂F₂₄N₂; In cyclohexane; for 12h; Inert atmosphere;

DOI:10.1016/j.ica.2011.01.012

Reference yield: 98.0%

ethanol (64-17-5) + Cyclohexylacetic acid (5292-21-7) → ethyl 2-cyclohexylacetate (5452-75-5)

Guidance literature:

With alumina methanesulfonic acid; at 80 ℃; for 0.133333h; Microwave irradiation;

DOI:10.1080/00397911.2013.875210

Reference yield: 98.0%

ethyl cyclohexylideneacetate (1552-92-7) → ethyl 2-cyclohexylacetate (5452-75-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 5h; under 2585.7 Torr;

DOI:10.1016/S0957-4166(97)00500-4

upstream raw materials:

diazoacetic acid ethyl ester

cyclohexane

cyclohexene

diethyl ether

Downstream raw materials:

1-cyclohexyl-2,2’-diphenylethene

cyclohexylethan-1-ol

C₂₀H₂₂O₂

cyclohexyl-2 ethoxy-1 trimethylsiloxy-1 ethylene

Refernces

• 1、 Scott,Delicco. "-". . p. 322. Retrieved 1974.
• 2、 Pizarro, Juan Diego,Molina, Francisco,Fructos, Manuel R.,Pérez, Pedro J.. "Alkoxydiaminophosphine Ligands as Surrogates of NHCs in Copper Catalysis". supporting information. p. 10330 - 10335. Retrieved 2020/07/24.
• 3、 Ballestin, Pilar,Ventura-Espinosa, David,Martín, Santiago,Caballero, Ana,Mata, Jose A.,Pérez, Pedro J.. "Improving Catalyst Activity in Hydrocarbon Functionalization by Remote Pyrene–Graphene Stacking". . p. 9534 - 9539. Retrieved 2019/06/04.